2-(1,4-thiazepin-2-yl)benzoic acid

Systemtic Name: 2-(1,4-thiazepin-2-yl)benzoic acid Openeye Name: 2-(1,4-thiazepin-2-yl)benzoic acid CAS Name: 2-(1,4-thiazepin-2-yl)benzoic acid IUPAC Name: 2-(1,4-thiazepin-2-yl)benzoic acid Traditional Name: 2-(1,4-thiazepin-2-yl)benzoic acid Formula: C12H9NO2S MolecularWeight: 231.27036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CN=CC=CS2)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=CN=CC=CS2)C(=O)O

InChI

InChI=1S/C12H9NO2S/c14-12(15)10-5-2-1-4-9(10)11-8-13-6-3-7-16-11/h1-8H,(H,14,15)